Geometry & MOs

Info

ID:	33907
PubChem CID:	7888673
Reduced:	SN2O5C18H18 (1)
Stoich.:	AB2C5D18E18 (1)
Weight, g/mol:	414.161329
ΔH_f, kcal/mol:	-145.61
Dipole, Da:	4.99
IP(EA), eV:	-9.14(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

C1COCCN1C(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations